text: It is assumed that the collected experimental data comprise a set of data points. At each th data point, the analytical concentrations of the reactants, ,  etc. are known along with a measured quantity, , that depends on one or more of these analytical concentrations. A general computational procedure has four main components:
  # Definition of a chemical model of the equilibria
  # Calculation of the concentrations of all the chemical species in each solution
  # Refinement of the equilibrium constants
  # Model selection
  The value of the equilibrium constant for the formation of a 1:1 complex, such as a host-guest species, may be calculated with a dedicated spreadsheet application, Bindfit: In this case step 2 can be performed with a non-iterative procedure and the pre-programmed routine Solver can be used for step 3.